Title : Molecular mechanical study of halogen bonding in drug discovery.

Pub. Date : 2011 Sep

PMID : 21598284






2 Functional Relationships(s)
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1 Molecular mechanical study of halo derivatives of benzotriazole complexed to cyclin-dependent protein kinase 2 (CDK2) was performed, and MM-PB(GB)SA binding energies were calculated as a case study in finding potent halogenated inhibitors that can serve as antitumor drugs. benzotriazole cyclin dependent kinase 2 Homo sapiens
2 Molecular mechanical study of halo derivatives of benzotriazole complexed to cyclin-dependent protein kinase 2 (CDK2) was performed, and MM-PB(GB)SA binding energies were calculated as a case study in finding potent halogenated inhibitors that can serve as antitumor drugs. benzotriazole cyclin dependent kinase 2 Homo sapiens